AMELUBANT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: E0018IF0K4

Structure
InChI Key SBVYURPQULDJTI-UHFFFAOYSA-N
Smile CCOC(=O)NC(=N)c1ccc(OCc2cccc(COc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c2)cc1
InChI
InChI=1S/C33H34N2O5/c1-4-38-32(37)35-31(34)25-8-16-29(17-9-25)39-21-23-6-5-7-24(20-23)22-40-30-18-12-27(13-19-30)33(2,3)26-10-14-28(36)15-11-26/h5-20,36H,4,21-22H2,1-3H3,(H2,34,35,37)

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H34N2O5
Molecular Weight 538.64
AlogP 6.95
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 100.87
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 40.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Leukotriene B4 receptor 1 antagonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Cystic Fibrosis 1 D003550 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1742420
DrugBank DB06248
FDA SRS E0018IF0K4
Guide to Pharmacology 8463
PubChem 9915203
SureChEMBL SCHEMBL1891670
ZINC ZINC000004392964
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